基本情報
- CAS
197508-62-6- 標準SMILES
CCCCCC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)O- InChIKey
JBSCUHKPLGKXKH-ILYOTBPNSA-N- 分子式
- C20H32O3
- 平均分子量
- 320.5 g/mol
- 単同位体質量
- 320.23514488
概要
14,15-EET is an EET obtained by formal epoxidation of the 14,15-double bond of arachidonic acid. It has a role as a mouse metabolite. It is a conjugate acid of a 14,15-EET(1-).
名称と識別子
- 優先名称
- 14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid
- IUPAC
- (5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid
- 英語名
- (14(15)-EET MaxSpecStandard
- 分子式
- C20H32O3
- 分子量
- 320.47
名称と別名
14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acidRefChem:105749614,15-Eet(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid(+/-)14,15-EpETrE14,15-epoxyeicosatrienoic acid81276-03-114,15-EpETrE197508-62-614(15)-EpETrE14(15)-EET(5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid
名称をさらに表示
(±)14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acidAnti-IL11 Antibody (X203)(14(15)-EET MaxSpecStandard(±)14(15)-EET Lipid Maps? MS Standard5,8,11-Tridecatrienoic acid, 13-(3-pentyl-2-oxiranyl)-, (5Z,8Z,11Z)-
(5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid(+/-)14,15-EPOXYEICOSA-5Z,8Z,11Z-TRIENOIC ACID( inverted exclamation markA)14,15-Epoxyeicosatrienoic acid14(15)-Epoxy-5Z,8Z,11Z-eicosatrienoic acidBSPBio_001335starbld0008791BML1-D11CHEMBL269319
データベース識別子
- CAS
197508-62-6、81276-03-1- PubChem CID
- 5283205
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 49.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 14
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 396
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Epoxyeicosatrienoic acids [FA0308]
Physical DescriptionSolid
Collision Cross Section
185.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
182.43 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
185.9 Ų [M+Na]+
物理化学的性質
- 沸点
- 464.5 · 464.5±33.0 °C(Predicted)
- 比重(密度)
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- 50 mg/ml · DMF: >50 mg/ml (per Rao Maddipati),DMSO: >50 mg/ml (per Rao Maddipati),Ethanol: >50 mg/ml (per Rao Maddipati),
- 酸解離定数(Pka)
- 4.75 · 4.75±0.10(Predicted)
- 外見
- ethanol solution
- 色
- Colorless to light yellow
- InChIKey
- JBSCUHKPLGKXKH-ILYOTBPNSA-N
- SMILES
- O1C(C1C\C=C/C\C=C/C\C=C/CCCC(=O)O)CCCCC
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
安全データ
- wgk
- WGK 1
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
Metabolism/Metabolites14,15-EET is a known human metabolite of arachidonic acid.
Cellular LocationsExtracellular
Metabolite PathwaysAcetaminophen Action Pathway
応用分野
使用Epoxyeicosatrienoic Acid (EET) has antihypertensive and anti-inflammatory properties and play a role in the maintenance of renal vascular function. N,N''-dicyclohexylurea (DCU) increased release of 14,15-EET when the cells were stimulated with a calcium ionophore.Also, it is derived from Arachidonic Acid >97% (A765000), which is an essential fatty acid and a precursor in the biosynthesis of prostaglandins, thromboxanes, and leukotrienes. Arachidonic Acid occurs in liver, brain, glandular organs, and depot fats of animals, in small amounts in human depot fats, and Arachidonic Acid is also a constituent of animal phosphatides.
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